| SpectraBase Spectrum ID |
4EaO7HBErO8 |
| Name |
3-Butylhexahydrophthalide |
| CAS Registry Number |
3553-34-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3 |
| InChIKey |
TZRMFZSOOVBPPN-UHFFFAOYSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
C1(OC(CCCC)C2C1CCCC2)=O |
| SPLASH |
splash10-00lg-9100000000-423fc21cfabeda660983 |
| Source |
ex LOMATIUM DISSECTUM |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Phthalide<3-butyl hexahydro-> |
| Wiley ID |
1887785 |
